Geometry & MOs

Info

ID:	370673
PubChem CID:	127339835
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	9.31
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

DOS

IR

Vibrations