Geometry & MOs

Info

ID:	130094
PubChem CID:	51074918
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	4.43
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1,5-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)NCCN(C(C)C)C(C)C

DOS

IR

Vibrations