Geometry & MOs

Info

ID:	434459
PubChem CID:	135174996
Reduced:	P2S2N9O9C22H29 (1)
Stoich.:	A2B2C9D9E22F29 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-399.43
Dipole, Da:	18.62
IP(EA), eV:	-8.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(OC1COCP(=S)(O)O[C@H]2CC(OC2COP(=O)(O)S)N3C=CC4=C(N=CN=C43)N)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations