Geometry & MOs

Info

ID:	431147
PubChem CID:	135171217
Reduced:	ClO2N6C37H41 (1)
Stoich.:	AB2C6D37E41 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	7.25
IP(EA), eV:	-8.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-chloropyrimidin-5-yl)methylamino]cyclohex-3-en-1-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1CN2CCCCC2)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCC6)Cl

DOS

IR

Vibrations