Geometry & MOs

Info

ID:	56447
PubChem CID:	17425478
Reduced:	O2S2N3C23H31 (1)
Stoich.:	A2B2C3D23E31 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	4.87
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5CCCC5

DOS

IR

Vibrations