Geometry & MOs

Info

ID:	245589
PubChem CID:	99455492
Reduced:	O2N4C27H40 (1)
Stoich.:	A2B4C27D40 (1)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	2.68
IP(EA), eV:	-7.96(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[(2-pyrazol-1-ylpyridin-4-yl)methylamino]ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations