Geometry & MOs

Info

ID:	418487
PubChem CID:	135105158
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-88.32
Dipole, Da:	5.15
IP(EA), eV:	-9.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations