Geometry & MOs

Info

ID:	320419
PubChem CID:	126660430
Reduced:	NSH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	294.093519
ΔH_f, kcal/mol:	88.77
Dipole, Da:	2.71
IP(EA), eV:	-7.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-2-(prop-2-enoxymethyl)pyrrol-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=C)C=C(S2)C=C)C3=CC=CC=C3

DOS

IR

Vibrations