Geometry & MOs

Info

ID:	146258
PubChem CID:	53659915
Reduced:	N4O6C33H44 (1)
Stoich.:	A4B6C33D44 (1)
Weight, g/mol:	368.05243
ΔH_f, kcal/mol:	-212.46
Dipole, Da:	7.06
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9bR)-2-[(2-bromophenyl)methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile

Drug info:

PubChemData

Smile

CCCCN(CCCN(C)C)C(=O)CN1C[C@@H](C([C@@H]1CCN2C(=O)CC3=CC=CC=C32)C(=O)O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations