Geometry & MOs

Info

ID:	405734
PubChem CID:	135075196
Reduced:	N2O2H26C27 (1)
Stoich.:	A2B2C26D27 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	41.56
Dipole, Da:	2.45
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#CC(=NC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations