Geometry & MOs

Info

ID:	425810
PubChem CID:	135128095
Reduced:	N2C13H14 (2)
Stoich.:	A2B13C14 (2)
Weight, g/mol:	435.187067
ΔH_f, kcal/mol:	192.87
Dipole, Da:	3.83
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2,4-difluorocyclohexa-2,4-dien-1-yl)-2-pyridin-3-ylquinazolin-4-yl]amino]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCC/1C=C/C=C\C/C=C1/C2=CC3=C(C=C2)N=C(N=C3N(C)C)C4=CC=CN=CC4

DOS

IR

Vibrations