Geometry & MOs

Info

ID:	49167
PubChem CID:	11528781
Reduced:	ClFN2O2C9H12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	198.080456
ΔH_f, kcal/mol:	-149.34
Dipole, Da:	4.04
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-(aminomethyl)-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C=C(C=C1)CN)F.Cl

DOS

IR

Vibrations