Geometry & MOs

Info

ID:	419291
PubChem CID:	135107903
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	413.279075
ΔH_f, kcal/mol:	7.25
Dipole, Da:	3.69
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C1=NC=NN1C)NC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations