Geometry & MOs

Info

ID:	39246
PubChem CID:	8139973
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	2.8
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N(C)C)C

DOS

IR

Vibrations