Geometry & MOs

Info

ID:	273591
PubChem CID:	103771430
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-121.29
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations