Geometry & MOs

Info

ID:	425784
PubChem CID:	135127988
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	344.200097
ΔH_f, kcal/mol:	19.1
Dipole, Da:	3.7
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethylphenyl)-N-methyl-2-pyridin-3-yl-1,4,6,7-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(=N2)/C(=C/N=CC=C)/C)NC3=CC(=CC=C3)OC(C)F

DOS

IR

Vibrations