Geometry & MOs

Info

ID:	39381
PubChem CID:	8140554
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	331.18441
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	5.53
IP(EA), eV:	-9.08(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations