Geometry & MOs

Info

ID:	370731
PubChem CID:	127340047
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	4.67
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations