Geometry & MOs

Info

ID:	170446
PubChem CID:	75235082
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	501.10633
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	4.69
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations