Geometry & MOs

Info

ID:	187185
PubChem CID:	77541095
Reduced:	OCl2N6C28H38 (1)
Stoich.:	AB2C6D28E38 (1)
Weight, g/mol:	472.29506
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	5.14
IP(EA), eV:	-8.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-anilinoethylideneamino)cyclohexyl]amino]-N-butyl-6-methylquinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=NC2=C(C=C(C=C2)C)C(=N1)NC3CCCCC3N=C(C)NC4=CC=CC=C4.Cl.Cl

DOS

IR

Vibrations