Geometry & MOs

Info

ID:	347996
PubChem CID:	127273058
Reduced:	SN2O4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-203.32
Dipole, Da:	10.26
IP(EA), eV:	-9.1(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)CC(=O)N(CC2CCCO2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations