Geometry & MOs

Info

ID:

159062

PubChem CID:

57260102

Reduced:

O22H42C43 (1)

Stoich.:

A22B42C43 (1)

Weight, g/mol:

159.162314

ΔHf, kcal/mol:

-781.38

Dipole, Da:

6.13

IP(EA), eV:

 -8.95(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(butylamino)pentan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2C(=O)C(C(=O)[C@](C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C=C4C(=O)C(C(=O)[C@](C4=O)([C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C(=O)C=CC6=CC=C(C=C6)O)O

DOS

IR

Vibrations