Geometry & MOs

Info

ID:	241651
PubChem CID:	96023931
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-139.65
Dipole, Da:	4.25
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-3-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@H](CC(=O)O)NC(=O)C)C=C1)C

DOS

IR

Vibrations