Geometry & MOs

Info

ID:	443533
PubChem CID:	135259274
Reduced:	O3N5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	1.48
IP(EA), eV:	-7.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,3-dimethyl-N-(1-methylcyclohexyl)-6-oxo-5-(quinazolin-4-ylamino)hepta-2,4-dienamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)N4CCC5(C4)CCN(C5)C(=O)OC(C)(C)C

DOS

IR

Vibrations