Geometry & MOs

Info

ID:	298810
PubChem CID:	117657590
Reduced:	ClN5H14C19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	327.148396
ΔH_f, kcal/mol:	112.81
Dipole, Da:	5.95
IP(EA), eV:	-8.97(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-7-(2-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations