Geometry & MOs

Info

ID:	431948
PubChem CID:	135172075
Reduced:	OSC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	376.272593
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	1.74
IP(EA), eV:	-8.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=C)CC1=CCSC1=C

DOS

IR

Vibrations