Geometry & MOs

Info

ID:	29079
PubChem CID:	831471
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-185.53
Dipole, Da:	3.73
IP(EA), eV:	-8.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-methylcyclohexyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=O)N2)C)C(=O)OC)OC

DOS

IR

Vibrations