Geometry & MOs

Info

ID:	331965
PubChem CID:	127250251
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CN=C(C=C4)N

DOS

IR

Vibrations