Geometry & MOs

Info

ID:	426666
PubChem CID:	135153231
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	362.256943
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	6.89
IP(EA), eV:	-8.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-amino-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]pentanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)N

DOS

IR

Vibrations