Geometry & MOs

Info

ID:	68659
PubChem CID:	46508852
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	4.43
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CN(C)CC(=O)N(C)C

DOS

IR

Vibrations