Geometry & MOs

Info

ID:	124993
PubChem CID:	50906599
Reduced:	FON2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	428.0946
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	4.16
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanol

Drug info:

PubChemData

Smile

CCC1=NC2=C(C(=O)CC(C2)(C)C)C3=C1NC4=C3C(=CC=C4)F

DOS

IR

Vibrations