Geometry & MOs

Info

ID:	380209
PubChem CID:	134970571
Reduced:	NO6H21C25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-85.11
Dipole, Da:	6.82
IP(EA), eV:	-9.91(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3S)-2-butyl-3-phenylcyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)[C@@H]2C([C@@]2(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations