Geometry & MOs

Info

ID:	358523
PubChem CID:	127296119
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	5.42
IP(EA), eV:	-8.87(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CN=C(C=C3)OCC4CC4

DOS

IR

Vibrations