Geometry & MOs

Info

ID:	258301
PubChem CID:	103152778
Reduced:	ClNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-174.6
Dipole, Da:	4.16
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C(=O)NCC(CC(=O)O)OC)SC1=CC=C(C=C1)Cl

DOS

IR

Vibrations