Geometry & MOs

Info

ID:	39317
PubChem CID:	8140248
Reduced:	N2O2C22H31 (1)
Stoich.:	A2B2C22D31 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-44.13
Dipole, Da:	0.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999971
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C(C)C

DOS

IR

Vibrations