Geometry & MOs

Info

ID:	320566
PubChem CID:	126661756
Reduced:	FN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	62.17
Dipole, Da:	4.53
IP(EA), eV:	-8.05(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2,6-dimethyl-4-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations