Geometry & MOs

Info

ID:	287597
PubChem CID:	104248051
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	3.79
IP(EA), eV:	-8.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1CCCC(C1)NCCN2C3=C(CCC3)C=CC2=O

DOS

IR

Vibrations