Geometry & MOs

Info

ID:	405396
PubChem CID:	135073738
Reduced:	BrNOH22C23 (1)
Stoich.:	ABCD22E23 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	23.05
Dipole, Da:	3.53
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-hydroxypent-1-en-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations