Geometry & MOs

Info

ID:	149080
PubChem CID:	53788751
Reduced:	NPO8C48H93 (1)
Stoich.:	ABC8D48E93 (1)
Weight, g/mol:	174.023628
ΔH_f, kcal/mol:	-530.76
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751600
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1H-cyclopropa[a]naphthalene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC=CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C=CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations