Geometry & MOs

Info

ID:	330716
PubChem CID:	127248123
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	5.26
IP(EA), eV:	-8.3(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5R,7aR)-5-methoxy-3a-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-pyridazin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2CCC(C2)C3=NC=C(N3)CNC(=O)C

DOS

IR

Vibrations