Geometry & MOs

Info

ID:	333936
PubChem CID:	127252488
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-85.64
Dipole, Da:	5.53
IP(EA), eV:	-9.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aS,7aR)-3-(4-ethylphenyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H]2CN([C@H]3[C@@H]2CNCC3)C(=O)CO

DOS

IR

Vibrations