Geometry & MOs

Info

ID:	332107
PubChem CID:	127250393
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-80.45
Dipole, Da:	1.69
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4)O

DOS

IR

Vibrations