Geometry & MOs

Info

ID:	30762
PubChem CID:	841811
Reduced:	NC3H3 (6)
Stoich.:	AB3C3 (6)
Weight, g/mol:	318.159295
ΔH_f, kcal/mol:	142.41
Dipole, Da:	3.09
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR)-2-amino-4-(1,3-dimethylpyrazol-4-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C=C1[C@@H]2[C@@H]3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)C

DOS

IR

Vibrations