Geometry & MOs

Info

ID:	306893
PubChem CID:	125264213
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	330.241962
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	7.56
IP(EA), eV:	-9.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,7aR)-1-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-(3H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CN1[C@@H]2CCN(C[C@H]2C[C@H]1CN3C=NC=N3)C(=O)C4CCOCC4

DOS

IR

Vibrations