Geometry & MOs

Info

ID:	349152
PubChem CID:	127274878
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-115.7
Dipole, Da:	2.56
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CN(CCN1CCOCC1)C(=O)C2CC3CCCCC3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations