Geometry & MOs

Info

ID:	360172
PubChem CID:	127300788
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	5.74
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC(CC3)NC4=NN=CC=C4)O)C

DOS

IR

Vibrations