Geometry & MOs

Info

ID:	369565
PubChem CID:	127334620
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	368.257612
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	4.54
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=CC=C2)NC(=O)C3CCC(=O)NC3

DOS

IR

Vibrations