Geometry & MOs

Info

ID:	435592
PubChem CID:	135191887
Reduced:	FN3C26H36 (1)
Stoich.:	AB3C26D36 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	5.26
IP(EA), eV:	-7.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CCCN1CCCCC2=C3C(=CC=C2)N(CCN3C1)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations