Geometry & MOs

Info

ID:	419393
PubChem CID:	135108110
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	5.72
IP(EA), eV:	-9.0(-0.17)
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-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCCOC3=C(C2)C=CC=C3OC

DOS

IR

Vibrations