Geometry & MOs

Info

ID:	217926
PubChem CID:	85088600
Reduced:	O4N6C19H36 (1)
Stoich.:	A4B6C19D36 (1)
Weight, g/mol:	412.226312
ΔH_f, kcal/mol:	-189.49
Dipole, Da:	6.75
IP(EA), eV:	-9.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC=O

DOS

IR

Vibrations