Geometry & MOs

Info

ID:	449008
PubChem CID:	135295162
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	488.227535
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	5.5
IP(EA), eV:	-8.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]phenyl]cyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN(C3=C2N=CC(=C3)/C(=C(\C)/N)/C(=O)C)CC4CCCCC4)COO

DOS

IR

Vibrations