Geometry & MOs

Info

ID:	65278
PubChem CID:	29211889
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	9.31
Dipole, Da:	7.5
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N/N=C\3/C[C@@H]4CC[C@]3(C4(C)C)C)C

DOS

IR

Vibrations