Geometry & MOs

Info

ID:	126649
PubChem CID:	50971902
Reduced:	ClOSN6C13H17 (1)
Stoich.:	ABCD6E13F17 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	42.08
Dipole, Da:	2.38
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNCCSC2=NN=NN2C)Cl

DOS

IR

Vibrations