Geometry & MOs

Info

ID:	177855
PubChem CID:	76245075
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	9.77
IP(EA), eV:	-8.73(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2C(CC(CN2)C(=O)N(C)CCOC3=CC=C(C=C3)C)C(=O)NC1=O

DOS

IR

Vibrations