Geometry & MOs

Info

ID:	74186
PubChem CID:	48421562
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-8.63
Dipole, Da:	6.45
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl(pyridin-4-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)N2CCC(CC2)CCN3CCN(CC3)C)C

DOS

IR

Vibrations