Geometry & MOs

Info

ID:	320594
PubChem CID:	126661955
Reduced:	FN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	31.08
Dipole, Da:	1.45
IP(EA), eV:	-7.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-amino-2,6-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations