Geometry & MOs

Info

ID:	162829
PubChem CID:	57571068
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	463.239496
ΔH_f, kcal/mol:	-129.18
Dipole, Da:	3.9
IP(EA), eV:	-9.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[4-(butylamino)-2,5-difluoroanilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=CC(=NC=N2)OC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations