Geometry & MOs

Info

ID:	417997
PubChem CID:	135103295
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-24.68
Dipole, Da:	3.58
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)CC(=O)N(C)CC2=CC(=NN2)C3CC3)C)C(=O)C

DOS

IR

Vibrations