Geometry & MOs

Info

ID:	292012
PubChem CID:	114107723
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	4.64
IP(EA), eV:	-10.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations