Geometry & MOs

Info

ID:	320596
PubChem CID:	126661957
Reduced:	FN2O4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-210.84
Dipole, Da:	4.2
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2,6-dimethyl-4-(prop-2-ynylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)N=CC2=CC=C(C=C2)F

DOS

IR

Vibrations