Geometry & MOs

Info

ID:	306764
PubChem CID:	125240949
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-134.56
Dipole, Da:	6.24
IP(EA), eV:	-8.96(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aS)-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

CC1=C(C(=NO1)C)CN2C[C@H]3COC[C@H]([C@@H]3C2)CC(=O)NCCOC

DOS

IR

Vibrations