Geometry & MOs

Info

ID:	392539
PubChem CID:	135017120
Reduced:	BrKNO4C19H27 (1)
Stoich.:	ABCD4E19F27 (1)
Weight, g/mol:	413.12017
ΔH_f, kcal/mol:	-218.88
Dipole, Da:	9.76
IP(EA), eV:	-7.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-bromopropyl)-N-(1-ethoxy-1-hydroxy-3-phenylprop-1-en-2-yl)carbamate

Drug info:

PubChemData

Smile

CCOC(=C(CC1=CC=CC=C1)N(CCCBr)C(=O)OC(C)(C)C)[O-].[K+]

DOS

IR

Vibrations