Geometry & MOs

Info

ID:	201121
PubChem CID:	79490830
Reduced:	SN2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	31.54
Dipole, Da:	0.53
IP(EA), eV:	-8.89(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)NCC1=CC=C(C=C1)CN(C)CCC2=CC=CS2

DOS

IR

Vibrations