Geometry & MOs

Info

ID:	131726
PubChem CID:	51253680
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	4.48
IP(EA), eV:	-9.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C)C(=O)CN2C=CC(=O)NC2=O

DOS

IR

Vibrations