Geometry & MOs

Info

ID:	48024
PubChem CID:	10536654
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	179.091532
ΔH_f, kcal/mol:	15.16
Dipole, Da:	1.3
IP(EA), eV:	-8.17(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C)C2CCCC=C2

DOS

IR

Vibrations