Geometry & MOs

Info

ID:	195860
PubChem CID:	78743208
Reduced:	ClNO6H20C21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	312.171202
ΔH_f, kcal/mol:	-225.56
Dipole, Da:	2.51
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(4-methylphenyl)-phenylmethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations