Geometry & MOs

Info

ID:	74109
PubChem CID:	48421472
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	415.233188
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	4.65
IP(EA), eV:	-8.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C)Cl

DOS

IR

Vibrations