Geometry & MOs

Info

ID:	288369
PubChem CID:	104315795
Reduced:	BrN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	411.97212
ΔH_f, kcal/mol:	44.4
Dipole, Da:	3.84
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dibromopyridin-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=C(C=CC=N2)Br)C)CC(C)CNC

DOS

IR

Vibrations