Geometry & MOs

Info

ID:	74202
PubChem CID:	48421580
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	11.81
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=C(C=CC(=C2)N3C=NN=N3)C

DOS

IR

Vibrations