Geometry & MOs

Info

ID:	350601
PubChem CID:	127278636
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	4.77
IP(EA), eV:	-8.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(5-cyclopropyl-1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2C1)C(=O)N3CCC(C3)NC4=CC=CC=C4)O

DOS

IR

Vibrations