Geometry & MOs

Info

ID:	381703
PubChem CID:	134972509
Reduced:	NO3C31H37 (1)
Stoich.:	AB3C31D37 (1)
Weight, g/mol:	188.015956
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	5.08
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dichloro-1-ethynylbicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CO[C@@H]2C[C@H](N(C2)C(=O)C(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)OC

DOS

IR

Vibrations