Geometry & MOs

Info

ID:	230712
PubChem CID:	87571715
Reduced:	NSi2C14H31 (1)
Stoich.:	AB2C14D31 (1)
Weight, g/mol:	435.159266
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	3.31
IP(EA), eV:	-7.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-yl)-6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)CCNCC[Si]C=C(C)C

DOS

IR

Vibrations