Geometry & MOs

Info

ID:	440670
PubChem CID:	135230879
Reduced:	N2O2C11H22 (1)
Stoich.:	A2B2C11D22 (1)
Weight, g/mol:	401.146345
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	3.25
IP(EA), eV:	-9.46(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CCC(C)C(=O)CN)C(=O)CCN

DOS

IR

Vibrations