Geometry & MOs

Info

ID:	69656
PubChem CID:	47205095
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	8.83
Dipole, Da:	5.11
IP(EA), eV:	-9.99(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=NN2

DOS

IR

Vibrations