Geometry & MOs

Info

ID:	74101
PubChem CID:	48421463
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	6.09
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-[(2-pyrazol-1-ylpyridin-3-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations