Geometry & MOs

Info

ID:	358451
PubChem CID:	127296047
Reduced:	SO3N4C18H34 (1)
Stoich.:	AB3C4D18E34 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	7.62
IP(EA), eV:	-8.7(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations