Geometry & MOs

Info

ID:	149279
PubChem CID:	53788951
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	0.98
IP(EA), eV:	-8.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-adamantyloxycarbonylamino)-2-(9H-pyrido[3,4-b]indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(=C1C=CC(=C)C2=C(N(C(=C12)O)O)O)C

DOS

IR

Vibrations