Geometry & MOs

Info

ID:	422228
PubChem CID:	135117445
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-41.24
Dipole, Da:	3.36
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-2-methyl-6-[methyl-[(2-propan-2-yloxynaphthalen-1-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCCOCC2=CC=CC=C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations