Geometry & MOs

Info

ID:	248224
PubChem CID:	103079801
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	6.34
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-methyl-4-nitropyrazol-3-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations