Geometry & MOs

Info

ID:	358488
PubChem CID:	127296084
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	4.94
IP(EA), eV:	-8.89(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NC3CCOCC3

DOS

IR

Vibrations