Geometry & MOs

Info

ID:	414429
PubChem CID:	135087387
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	352.237545
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	4.64
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]-N'-[(1-methyl-3-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)C1=C(ON=C1N2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations