Geometry & MOs

Info

ID:	448882
PubChem CID:	135294250
Reduced:	NC18H21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	512.363888
ΔH_f, kcal/mol:	41.27
Dipole, Da:	2.35
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-fluoropyridin-3-yl)-3-[methyl-[5-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)hept-1-en-3-yl]amino]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=CC=C2)CCC(=C)NC

DOS

IR

Vibrations