Geometry & MOs

Info

ID:	186669
PubChem CID:	77464710
Reduced:	FCl2O3N4C30H31 (1)
Stoich.:	AB2C3D4E30F31 (1)
Weight, g/mol:	396.160456
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	2.51
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]imidazole

Drug info:

PubChemData

Smile

CC1(CNCC1C2=CC(=C(C=C2C(=O)C3CCNC(C3)C4=CC=CC=N4)Cl)Cl)N(C)C(=O)OC5=CC=C(C=C5)F

DOS

IR

Vibrations