Geometry & MOs

Info

ID:	85257
PubChem CID:	49873169
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	8.05
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(3aS,9bR)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]cyclohexyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(CC1)CCN2C[C@H]3COC4=C([C@@H]3C2)C=C(C=C4)C#N

DOS

IR

Vibrations