Geometry & MOs

Info

ID:	333179
PubChem CID:	127251727
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	4.65
IP(EA), eV:	-8.74(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5-[1-(2-methylpropyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(C1)C2=CC(=NN2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations