Geometry & MOs

Info

ID:	417570
PubChem CID:	135102079
Reduced:	NSF2O5C16H21 (1)
Stoich.:	ABC2D5E16F21 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-310.09
Dipole, Da:	2.31
IP(EA), eV:	-9.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-2,2-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F)OC[C@@H]1O)O

DOS

IR

Vibrations