Geometry & MOs

Info

ID:	221382
PubChem CID:	85272334
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	5.63
IP(EA), eV:	-9.83(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(phenylmethoxymethyl)cyclopropyl]cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC12CC3C(=O)CC4C3(C1(CC4)CCC2=O)C

DOS

IR

Vibrations