Geometry & MOs

Info

ID:	284382
PubChem CID:	104046414
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	2.52
IP(EA), eV:	-8.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(cyanomethyl)anilino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCCSC2=CC=CC=C2

DOS

IR

Vibrations