Geometry & MOs

Info

ID:	248725
PubChem CID:	103083965
Reduced:	BrClN2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	331.06841
ΔH_f, kcal/mol:	47.97
Dipole, Da:	2.95
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=CC(=N2)CCl

DOS

IR

Vibrations