Geometry & MOs

Info

ID:	363388
PubChem CID:	127310925
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	6.61
IP(EA), eV:	-8.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)NCC3(CCOCC3)N4CCCCC4

DOS

IR

Vibrations