Geometry & MOs

Info

ID:	425806
PubChem CID:	135128085
Reduced:	NC26H33 (1)
Stoich.:	AB26C33 (1)
Weight, g/mol:	427.217224
ΔH_f, kcal/mol:	119.09
Dipole, Da:	2.2
IP(EA), eV:	-8.56(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(2-fluorophenyl)-N-[(6-methylpyridin-2-yl)methyl]-2-(2H-pyridin-3-ylidene)-3,4,6,7-tetrahydro-1H-quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CCC(C=C1C=NC(C=C)C2CCC=C=C2)C3=CC=CC(C3)C(C)C

DOS

IR

Vibrations