Geometry & MOs

Info

ID:	297670
PubChem CID:	117625228
Reduced:	BrN3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	438.219495
ΔH_f, kcal/mol:	26.39
Dipole, Da:	4.77
IP(EA), eV:	-9.04(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[4-(hydroxymethyl)phenyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)ethyl]phenyl]methanol

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)Br)N(C)C2CCCC2

DOS

IR

Vibrations