Geometry & MOs

Info

ID:	333183
PubChem CID:	127251731
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	15.69
Dipole, Da:	4.32
IP(EA), eV:	-9.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NNC(=C1)C2CCN(C2)CCC3=CC=CC=C3

DOS

IR

Vibrations