Geometry & MOs

Info

ID:	354389
PubChem CID:	127286633
Reduced:	O2N3C17H31 (1)
Stoich.:	A2B3C17D31 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	4.69
IP(EA), eV:	-8.97(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)NCC3CN(CCO3)C)C)C

DOS

IR

Vibrations