Geometry & MOs

Info

ID:	165035
PubChem CID:	74487841
Reduced:	N4O4C27H34 (1)
Stoich.:	A4B4C27D34 (1)
Weight, g/mol:	476.20865
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	5.44
IP(EA), eV:	-8.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-phenyl-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-5H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

CC(C)C=CCNC1=CC2=C(N=C1)N(C(=C2NC(=O)CCC3=CC=CC=C3)C(=O)OC)CCOC

DOS

IR

Vibrations