Geometry & MOs

Info

ID:	195679
PubChem CID:	78722687
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	7.67
IP(EA), eV:	-9.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations