Geometry & MOs

Info

ID:	333177
PubChem CID:	127251725
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	8.32
IP(EA), eV:	-7.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCOC(C1)C2=NC3=NC=NC(=C3C=C2)N)C4=CC=C(C=C4)OC

DOS

IR

Vibrations