Geometry & MOs

Info

ID:	423013
PubChem CID:	135118763
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	9.49
Dipole, Da:	4.34
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N[C@H]2COC[C@H]2CC3=CC=NC=C3)N(C)C)C

DOS

IR

Vibrations