Geometry & MOs

Info

ID:	148061
PubChem CID:	53787723
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	316.163436
ΔH_f, kcal/mol:	-58.86
Dipole, Da:	5.5
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-amino-3-methoxy-N-methylanilino)hexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CN1CCNCC1CCCC2=C3C(=CC=C2)C(=O)NC3=O

DOS

IR

Vibrations