Geometry & MOs

Info

ID:	284383
PubChem CID:	104046415
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NC2=CC=C(C=C2)CC#N

DOS

IR

Vibrations