Geometry & MOs

Info

ID:	190182
PubChem CID:	77963334
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	713.350109
ΔH_f, kcal/mol:	13.03
Dipole, Da:	5.15
IP(EA), eV:	-9.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-(3-ethoxybutan-2-yl)imidazol-2-one

Drug info:

PubChemData

Smile

CC1C=CC=CC1C2CN(CCO2)C3=NC(=CC(=O)N3C)C4=NC=NC=C4

DOS

IR

Vibrations