Geometry & MOs

Info

ID:	74110
PubChem CID:	48421474
Reduced:	O3N7C20H29 (1)
Stoich.:	A3B7C20D29 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	10.5
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(1H-pyrazol-4-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CN=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations