Geometry & MOs

Info

ID:	414770
PubChem CID:	135087732
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	64.6
Dipole, Da:	6.55
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-butan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2N1)CN(C)CC3=C(N=C4N3C=CC=C4)C

DOS

IR

Vibrations