Geometry & MOs

Info

ID:	172733
PubChem CID:	75545218
Reduced:	N2O2C13H19 (2)
Stoich.:	A2B2C13D19 (2)
Weight, g/mol:	469.217698
ΔH_f, kcal/mol:	-211.74
Dipole, Da:	3.35
IP(EA), eV:	-8.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C2CCCCC2C(=O)N(C1=O)CCCCC(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations