Geometry & MOs

Info

ID:	173763
PubChem CID:	75679641
Reduced:	ON4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	342.229386
ΔH_f, kcal/mol:	52.44
Dipole, Da:	8.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074018
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-1-(4-methylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC(=C2)CN3C=CC=N3)[NH+](C)C

DOS

IR

Vibrations