Geometry & MOs

Info

ID:	447042
PubChem CID:	135279769
Reduced:	ClON4C24H37 (1)
Stoich.:	ABC4D24E37 (1)
Weight, g/mol:	463.200825
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	1.36
IP(EA), eV:	-8.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[5-[[(1R)-4-[4-(5-methylpyrazin-2-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(C)CC(C)(C)NC1=NC(=NC=C1Cl)N/C(=C/C=C)/C=C\C=C)OCC

DOS

IR

Vibrations