Geometry & MOs

Info

ID:	258651
PubChem CID:	103155967
Reduced:	NO2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-219.76
Dipole, Da:	8.2
IP(EA), eV:	-9.67(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(4-propan-2-ylazepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(CCC(=O)O)CCNC(=O)CC(CN)OC

DOS

IR

Vibrations