Geometry & MOs

Info

ID:	332378
PubChem CID:	127250664
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	5.89
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]pyridin-3-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations