Geometry & MOs

Info

ID:	165968
PubChem CID:	74620301
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	351.207253
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	2.09
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-acetylanilino)-2-oxoethyl]-benzyl-(1-cyclopropylethyl)azanium

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=CC=CC=C2)CC(=O)C3C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

DOS

IR

Vibrations