Geometry & MOs

Info

ID:	423080
PubChem CID:	135118887
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	372.182923
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	5.5
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations