Geometry & MOs

Info

ID:	395234
PubChem CID:	135024984
Reduced:	Cl2O3H10C15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	458.243024
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	4.07
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(benzylamino)-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(C3C(=C(C(=O)O3)Cl)Cl)O

DOS

IR

Vibrations