Geometry & MOs

Info

ID:	410749
PubChem CID:	135083550
Reduced:	OH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	1.53
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/CO

DOS

IR

Vibrations