Geometry & MOs

Info

ID:	362722
PubChem CID:	127309267
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	4.59
IP(EA), eV:	-8.91(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)N2CCCC(C2)N3C=C(C=N3)C)N4CCCC4

DOS

IR

Vibrations