Geometry & MOs

Info

ID:	175965
PubChem CID:	75974596
Reduced:	N5O5C24H24 (1)
Stoich.:	A5B5C24D24 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922784
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-5-pyridin-3-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3C(=[N+](C2=O)CC(=O)NCC4=CC(=CC=C4)OC)N=CC=N3

DOS

IR

Vibrations