Geometry & MOs

Info

ID:	445778
PubChem CID:	135269470
Reduced:	ClO2N5C21H36 (1)
Stoich.:	AB2C5D21E36 (1)
Weight, g/mol:	449.255753
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	1.55
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(5-chloropyridin-2-yl)methyl]-2,5-diethylimidazol-4-yl]methyl-(4-hydroxy-2-methylbutyl)amino]-1-(methylamino)propan-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=N)C2=C(N=C(N2CC(C)CCC(CC)Cl)OCC)N(C1=O)CC

DOS

IR

Vibrations