Geometry & MOs

Info

ID:	304552
PubChem CID:	124756271
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	85.17
Dipole, Da:	8.84
IP(EA), eV:	-9.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3S,6R,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]formamide

Drug info:

PubChemData

Smile

CC1=NN=NN1CCC(=O)N[C@@H](C)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations