Geometry & MOs

Info

ID:	369799
PubChem CID:	127335750
Reduced:	OSN4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	-28.18
Dipole, Da:	3.5
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)NC3CCN(CC3)CC4CCOC4)C)C

DOS

IR

Vibrations