Geometry & MOs

Info

ID:	417464
PubChem CID:	135095029
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	4.42
IP(EA), eV:	-9.15(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC)N(C)CC1=NC=CN1CCOC

DOS

IR

Vibrations