Geometry & MOs

Info

ID:	346929
PubChem CID:	127271433
Reduced:	O2N7C18H25 (1)
Stoich.:	A2B7C18D25 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	6.77
Dipole, Da:	8.84
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)NC3CCN4C3CCCC4)OC

DOS

IR

Vibrations