Geometry & MOs

Info

ID:	46297
PubChem CID:	10523781
Reduced:	NO2S2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	379.18173
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	5.59
IP(EA), eV:	-7.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-thiophen-2-yl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C2=C(SC3=C(N2)C=CC(=C3)C)C(=O)C4=CC=CS4

DOS

IR

Vibrations