Geometry & MOs

Info

ID:	332944
PubChem CID:	127251368
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	3.81
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[2-methyl-6-[4-[3-(2-methylimidazol-1-yl)propanoyl]morpholin-2-yl]pyridin-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCC(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=C(N=C4)N)C

DOS

IR

Vibrations