Geometry & MOs

Info

ID:	165891
PubChem CID:	74610380
Reduced:	ClO2N6C21H25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	420.333851
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	3.57
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[methyl-[1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C2=C(N3C=C(C=CC3=N2)Cl)CNCCC4=NC=CN=C4

DOS

IR

Vibrations