Geometry & MOs

Info

ID:	122089
PubChem CID:	50793400
Reduced:	N3O5C31H35 (1)
Stoich.:	A3B5C31D35 (1)
Weight, g/mol:	503.185649
ΔH_f, kcal/mol:	-152.27
Dipole, Da:	7.01
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3N(C2=O)CC4=CC=CC(=C4)C)OC)OC

DOS

IR

Vibrations