Geometry & MOs

Info

ID:	413492
PubChem CID:	135086441
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	203.061614
ΔH_f, kcal/mol:	15.81
Dipole, Da:	5.8
IP(EA), eV:	-9.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-hydroxybut-2-enyl]-N-prop-2-ynylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Br)/C=C(\C)/[N+](=O)[O-]

DOS

IR

Vibrations