Geometry & MOs

Info

ID:	414405
PubChem CID:	135087363
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	384.288912
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	7.87
IP(EA), eV:	-9.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=CC(=O)N=C(N2)N)C(=O)O

DOS

IR

Vibrations