Geometry & MOs

Info

ID:	165055
PubChem CID:	74491313
Reduced:	N2O2C12H19 (2)
Stoich.:	A2B2C12D19 (2)
Weight, g/mol:	478.22613
ΔH_f, kcal/mol:	-188.05
Dipole, Da:	4.16
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]methyl]phenyl]methyl-diethylazanium

Drug info:

PubChemData

Smile

CCCCCN(C1C(N(C(=O)NC1=O)CCCC)N)C(=O)CCCOC2=CC=CC(=C2)C

DOS

IR

Vibrations