Geometry & MOs

Info

ID:	325155
PubChem CID:	126681598
Reduced:	ON2C15H16 (2)
Stoich.:	AB2C15D16 (2)
Weight, g/mol:	457.284161
ΔH_f, kcal/mol:	32.48
Dipole, Da:	0.75
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-pyrrolidin-1-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(C3=CC=CC=C3)OCC4CCC4)C5=CC=CC(=C5)CN

DOS

IR

Vibrations