Geometry & MOs

Info

ID:	74146
PubChem CID:	48421515
Reduced:	O2N3C9H14 (2)
Stoich.:	A2B3C9D14 (2)
Weight, g/mol:	366.19032
ΔH_f, kcal/mol:	-90.59
Dipole, Da:	9.08
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=N2)NC(=O)N(C)CC(COCCOC(C)C)O

DOS

IR

Vibrations