Geometry & MOs

Info

ID:	74102
PubChem CID:	48421464
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	365.24269
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	4.0
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2,5-dimethylpyrazol-3-yl)carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=C(N=CC=C2)N3C=CC=N3

DOS

IR

Vibrations