Geometry & MOs

Info

ID:	296408
PubChem CID:	117572264
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	4.6
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3-methylanilino)methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CCC1)CNC2=CC=CC(=C2)C#N

DOS

IR

Vibrations