Geometry & MOs

Info

ID:	431188
PubChem CID:	135171258
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	3.53
Dipole, Da:	2.56
IP(EA), eV:	-8.17(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(pyrimidin-5-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC)C2=C(C(=CC=C2)NC(=O)C3=NC=C(C=C3)C=O)Cl

DOS

IR

Vibrations