Geometry & MOs

Info

ID:	195389
PubChem CID:	78680717
Reduced:	O4N5H17C21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	346.130887
ΔH_f, kcal/mol:	44.87
Dipole, Da:	6.71
IP(EA), eV:	-9.13(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(5-phenyltetrazol-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=C(O4)[N+](=O)[O-])C

DOS

IR

Vibrations