Geometry & MOs

Info

ID:	74126
PubChem CID:	48421494
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-132.41
Dipole, Da:	4.99
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=C(N=CC=C2)OC

DOS

IR

Vibrations