Geometry & MOs

Info

ID:	328283
PubChem CID:	126700526
Reduced:	N2C35H38 (1)
Stoich.:	A2B35C38 (1)
Weight, g/mol:	380.02727
ΔH_f, kcal/mol:	94.87
Dipole, Da:	1.7
IP(EA), eV:	-7.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-quinazolin-7-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

CCC1=CC=C(N(C1)C)C2=CC=CC=C2N3CC=C(C=C3C4=CC=CC(=C4)C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations