Geometry & MOs

Info

ID:	214279
PubChem CID:	84974891
Reduced:	O2N3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	347.208316
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976625
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations