Geometry & MOs

Info

ID:	345274
PubChem CID:	127269432
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	6.18
IP(EA), eV:	-8.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)CNC(=O)CN3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations