Geometry & MOs

Info

ID:	22184
PubChem CID:	596209
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	5.05
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1)CCNC(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations