Geometry & MOs

Info

ID:	165993
PubChem CID:	74622299
Reduced:	N4O4C25H35 (1)
Stoich.:	A4B4C25D35 (1)
Weight, g/mol:	345.173366
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756026
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-(2-methylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NC(C)C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations