Geometry & MOs

Info

ID:	317966
PubChem CID:	126648014
Reduced:	NC22H31 (1)
Stoich.:	AB22C31 (1)
Weight, g/mol:	126.06808
ΔH_f, kcal/mol:	73.07
Dipole, Da:	2.04
IP(EA), eV:	-7.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-methyl-1-bicyclo[1.1.0]butanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)/C=C(\C(C)(C)C)/N/C/1=C/C=C\C=C/C=C\C=C/C=C1

DOS

IR

Vibrations