Geometry & MOs

Info

ID:	300074
PubChem CID:	119526676
Reduced:	ClO2N3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	5.56
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)N.Cl

DOS

IR

Vibrations