Geometry & MOs

Info

ID:	154533
PubChem CID:	56313990
Reduced:	O2F3N3C24H30 (1)
Stoich.:	A2B3C3D24E30 (1)
Weight, g/mol:	493.255226
ΔH_f, kcal/mol:	-214.33
Dipole, Da:	5.93
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations