Geometry & MOs

Info

ID:	366527
PubChem CID:	127320043
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-182.34
Dipole, Da:	3.65
IP(EA), eV:	-8.27(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)[C@@H]2CCCN2C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations