Geometry & MOs

Info

ID:	333190
PubChem CID:	127251738
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	36.55
Dipole, Da:	5.04
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN3CCC(C3)C4=CC(=NN4)C(=O)N(C)C

DOS

IR

Vibrations