Geometry & MOs

Info

ID:	196913
PubChem CID:	78895101
Reduced:	Cl2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	353.093104
ΔH_f, kcal/mol:	68.01
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methyl]-N-methyl-6-phenoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)CNCC3=CN=C(C=C3)Cl)Cl

DOS

IR

Vibrations