Geometry & MOs

Info

ID:	147769
PubChem CID:	53787427
Reduced:	O5C29H34 (1)
Stoich.:	A5B29C34 (1)
Weight, g/mol:	148.121178
ΔH_f, kcal/mol:	-153.43
Dipole, Da:	5.39
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethylamino)butylamino]methanol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CC=C5[C@@]3(C=CC(=O)C5)C

DOS

IR

Vibrations