Geometry & MOs

Info

ID:	306765
PubChem CID:	125240950
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	5.45
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aR)-5-(furan-2-carbonyl)-2-prop-2-enyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

C=CCN1C[C@@H]2CN(CCC[C@]2(C1)C(=O)O)C(=O)C3=CC=CO3

DOS

IR

Vibrations