Geometry & MOs

Info

ID:	177856
PubChem CID:	76245076
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-136.64
Dipole, Da:	7.16
IP(EA), eV:	-8.84(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN(C)C(=O)C2CC3C(NC2)N(C(=O)NC3=O)C4CC4

DOS

IR

Vibrations