Geometry & MOs

Info

ID:	401023
PubChem CID:	135049805
Reduced:	PN2C33H51 (1)
Stoich.:	AB2C33D51 (1)
Weight, g/mol:	364.06741
ΔH_f, kcal/mol:	19.16
Dipole, Da:	0.36
IP(EA), eV:	-8.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-bromo-4,4-diethoxy-1-naphthalen-1-ylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=C([P@@]1(=NC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3)N(C(C)C)C(C)C

DOS

IR

Vibrations