Geometry & MOs

Info

ID:	423810
PubChem CID:	135120320
Reduced:	N6O7C41H52 (1)
Stoich.:	A6B7C41D52 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-232.68
Dipole, Da:	4.06
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)CCC(=O)NCCCN(CCCCNC(=O)[C@@H]3C[C@H](O2)CN3C(=O)CN4CCOC5=CC=CC=C5C4)C(=O)CCC6=CN=CC=C6

DOS

IR

Vibrations