Geometry & MOs

Info

ID:	190315
PubChem CID:	77984414
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-228.03
Dipole, Da:	3.12
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CC1(OC2C(CC(C(C2=O)O1)O)C3=CCC4C(=C3)OCO4)C

DOS

IR

Vibrations