Geometry & MOs

Info

ID:	368385
PubChem CID:	127328293
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	3.12
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-3-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)NCC3CCN(C3)C4CC4

DOS

IR

Vibrations