Geometry & MOs

Info

ID:	231645
PubChem CID:	87574370
Reduced:	ClNOC5H8 (1)
Stoich.:	ABCD5E8 (1)
Weight, g/mol:	486.061008
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	2.04
IP(EA), eV:	-10.2(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2,6-dichloroquinazolin-4-yl)phenyl]piperazin-1-yl]oxycarbonyliminomethylidenecarbamic acid

Drug info:

PubChemData

Smile

C1C(CC1Cl)NC=O

DOS

IR

Vibrations