Geometry & MOs

Info

ID:	420997
PubChem CID:	135115179
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	2.68
IP(EA), eV:	-8.7(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCC(=O)N3CCCN(CC3)C(=O)COC)C

DOS

IR

Vibrations