Geometry & MOs

Info

ID:	361481
PubChem CID:	127303616
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-192.77
Dipole, Da:	2.27
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NCC(=O)N3CCCC3C(=O)NC

DOS

IR

Vibrations