Geometry & MOs

Info

ID:	404892
PubChem CID:	135071672
Reduced:	SN2O7C21H24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	439.05832
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	2.13
IP(EA), eV:	-9.1(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(4-fluorophenyl)-2-(4-methoxyphenyl)-N,N-bis(prop-2-ynyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)N(OC(=O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations