Geometry & MOs

Info

ID:	186556
PubChem CID:	77445252
Reduced:	FO3N6C37H45 (1)
Stoich.:	AB3C6D37E45 (1)
Weight, g/mol:	332.178773
ΔH_f, kcal/mol:	-109.56
Dipole, Da:	6.18
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluoro-5-methoxyphenyl)-3-(1-methoxy-2,2-dimethylpropyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CCCC1CN(CCC2=CC=C(C=C2)F)C(=O)C3=CN4C=C(C=CC4=N3)C5=CC=CC=C5)C(C)(C)C)NC

DOS

IR

Vibrations