Geometry & MOs

Info

ID:	172313
PubChem CID:	75496937
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	2.67
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(CC2=CC(=CC=C2)OC)C3CCC(CC3)O

DOS

IR

Vibrations