Geometry & MOs

Info

ID:	359841
PubChem CID:	127299885
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	1.68
IP(EA), eV:	-8.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CN(CCO2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations