Geometry & MOs

Info

ID:	173890
PubChem CID:	75693956
Reduced:	O4N5H16C20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	299.125649
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	2.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.128812
Charge, e:	1

Chem-info

IUPAC name:

3-amino-N-[2-(1H-imidazol-1-ium-4-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NC2=CN=C3C(=CC=C[NH+]3C2=O)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations