Geometry & MOs

Info

ID:	248726
PubChem CID:	103083992
Reduced:	BrN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	43.29
Dipole, Da:	5.81
IP(EA), eV:	-9.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C3CC(CCC3=N2)CN

DOS

IR

Vibrations