Geometry & MOs

Info

ID:	224033
PubChem CID:	85337160
Reduced:	ClNO6C24H40 (1)
Stoich.:	ABC6D24E40 (1)
Weight, g/mol:	480.200885
ΔH_f, kcal/mol:	-270.44
Dipole, Da:	2.36
IP(EA), eV:	-10.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-1-methyl-3-[(4-nitrophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1CC2(CO2)C(C(C1OC(=O)NC(=O)CCl)OC)C3(C(O3)CCC(C)C)C

DOS

IR

Vibrations