Geometry & MOs

Info

ID:	422119
PubChem CID:	135117239
Reduced:	FON6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	366.182254
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	5.05
IP(EA), eV:	-8.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCC2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations