Geometry & MOs

Info

ID:	334192
PubChem CID:	127252744
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	53.76
Dipole, Da:	5.69
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-(tetrazol-1-ylmethyl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)CCCC5=NC(=NO5)C6=CC=CC=C6

DOS

IR

Vibrations