Geometry & MOs

Info

ID:	414648
PubChem CID:	135087607
Reduced:	N5O6C26H27 (1)
Stoich.:	A5B6C26D27 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	9.69
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1H-imidazol-5-yl)methyl-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1CN2C=C(CO[C@H]3CN(C[C@@H]3NC(=O)C4=CC(=CC=C4)OC1)C(=O)C5=CC6=C(C=C5)OCCO6)N=N2

DOS

IR

Vibrations