Geometry & MOs

Info

ID:	307016
PubChem CID:	125264661
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	1.14
IP(EA), eV:	-8.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,5S,7aR)-5-(cyclopropylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(=O)N1CC[C@H]2[C@H]1CCC(=O)N2C3=CC=CC=C3

DOS

IR

Vibrations