Geometry & MOs

Info

ID:	187184
PubChem CID:	77541094
Reduced:	O2F3N6C21H27 (1)
Stoich.:	A2B3C6D21E27 (1)
Weight, g/mol:	544.248415
ΔH_f, kcal/mol:	-207.72
Dipole, Da:	5.14
IP(EA), eV:	-8.98(-1.0)
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;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2NC3CCCCC3N=C(CCO)N)C(=O)NCC(F)(F)F

DOS

IR

Vibrations