Geometry & MOs

Info

ID:	431619
PubChem CID:	135171707
Reduced:	NOC10H17 (2)
Stoich.:	ABC10D17 (2)
Weight, g/mol:	376.272593
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	2.62
IP(EA), eV:	-8.11(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)N

DOS

IR

Vibrations