Geometry & MOs

Info

ID:	425811
PubChem CID:	135128097
Reduced:	OF2N5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	357.195346
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	3.73
IP(EA), eV:	-8.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methyl-4-(methylamino)-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,2-dihydroquinazolin-7-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC(=NC2=C1C=C(C=C2)C3CC=C(C=C3F)F)C4=CN=CC=C4)C(=O)N

DOS

IR

Vibrations