Geometry & MOs

Info

ID:	309537
PubChem CID:	126547255
Reduced:	N8O8C47H58 (1)
Stoich.:	A8B8C47D58 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-261.39
Dipole, Da:	6.59
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-N-phenyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCOCC2)NC(=O)OC)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@@H]7CC[C@@H](N7C(=O)[C@H](C8CC9(C8)COC9)NC(=O)OC)C

DOS

IR

Vibrations