Geometry & MOs

Info

ID:	376711
PubChem CID:	134222736
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	555.180395
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	2.78
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[6-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations