Geometry & MOs

Info

ID:	362130
PubChem CID:	127305812
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	10.73
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(imidazol-1-ylmethyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CNN4C3=NC(=O)C5=CC=CC=C54

DOS

IR

Vibrations