Geometry & MOs

Info

ID:	330636
PubChem CID:	127248043
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	4.19
IP(EA), eV:	-8.99(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCC(C2)(CN3CCOCC3)O

DOS

IR

Vibrations