Geometry & MOs

Info

ID:	367348
PubChem CID:	127324300
Reduced:	O2N5C17H31 (1)
Stoich.:	A2B5C17D31 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	4.66
IP(EA), eV:	-8.98(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCC(CC1)NC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations