Geometry & MOs

Info

ID:	59336
PubChem CID:	24811413
Reduced:	ClO2N4H13C20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	339.217144
ΔH_f, kcal/mol:	42.39
Dipole, Da:	6.65
IP(EA), eV:	-8.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2S)-hexan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=CC=C2)C3=C(NC4=C(C3=O)C=C(C(=C4)Cl)C#N)O

DOS

IR

Vibrations