Geometry & MOs

Info

ID:	321988
PubChem CID:	126667677
Reduced:	NH57C63 (1)
Stoich.:	AB57C63 (1)
Weight, g/mol:	465.230394
ΔH_f, kcal/mol:	126.07
Dipole, Da:	2.18
IP(EA), eV:	-7.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis[2-[4-(ethoxymethyl)phenyl]ethynyl]phenyl]propanamide

Drug info:

Smile

CC1=CC(=C(C=C1)N(C2=CC3=C(C=C2)C4=CC5=C(C=C4C3(C)C)C6=C(C5(C)C)CCC7=CC=CC=C76)C8=CC9=C(C=C8)C1=C(C9(C)C)C=C(C2=CC=CC=C21)C1=C(C=CC(=C1)C)C)C

DOS

IR

Vibrations