Geometry & MOs

Info

ID:	330594
PubChem CID:	127248001
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	6.11
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2)O

DOS

IR

Vibrations