Geometry & MOs

Info

ID:	448942
PubChem CID:	135294623
Reduced:	OSCl2N5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	435.238273
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	6.26
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-methyl-7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)Cl)Cl)CC1O

DOS

IR

Vibrations