Geometry & MOs

Info

ID:	74099
PubChem CID:	48421461
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	394.232853
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	3.42
IP(EA), eV:	-8.53(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations