Geometry & MOs

Info

ID:	405277
PubChem CID:	135073329
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	320.17763
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	2.35
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(E)-2-methyl-3-phenylbut-2-enoxy]methyl]cyclopropyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N=CC2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations