Geometry & MOs

Info

ID:	300068
PubChem CID:	119526662
Reduced:	ClON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	4.04
IP(EA), eV:	-9.31(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)NCC(C2=CC=C(C=C2)C(C)C)N.Cl

DOS

IR

Vibrations