Geometry & MOs

Info

ID:	371232
PubChem CID:	127344422
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	5.31
IP(EA), eV:	-9.18(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations