Geometry & MOs

Info

ID:	74098
PubChem CID:	48421460
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	365.24269
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	3.79
IP(EA), eV:	-9.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrazol-4-yl)carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations