Geometry & MOs

Info

ID:	433093
PubChem CID:	135173230
Reduced:	O3N6C31H60 (1)
Stoich.:	A3B6C31D60 (1)
Weight, g/mol:	381.371913
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	2.37
IP(EA), eV:	-8.49(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(dimethylamino)-10-ethanimidoyl-7-(methylamino)-3-pentyltridecan-2-one

Drug info:

PubChemData

Smile

CCCCCCC(CCC(CC/C=C(/CC(C)N(C)C)\C(=N\NC(=O)CCCCC(=O)NN)\C)N(C)C)C(=O)C

DOS

IR

Vibrations