Geometry & MOs

Info

ID:	178479
PubChem CID:	76335737
Reduced:	ClO2N7H24C26 (1)
Stoich.:	AB2C7D24E26 (1)
Weight, g/mol:	501.168001
ΔH_f, kcal/mol:	49.19
Dipole, Da:	4.12
IP(EA), eV:	-8.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(2-chloro-4-pyrimidin-5-ylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=NC=CN=C4)Cl)C5=CN(N=C5)C

DOS

IR

Vibrations