Geometry & MOs

Info

ID:	433425
PubChem CID:	135173562
Reduced:	O3N4C23H23 (2)
Stoich.:	A3B4C23D23 (2)
Weight, g/mol:	190.113984
ΔH_f, kcal/mol:	-54.47
Dipole, Da:	5.77
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylaminosulfanyl)piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

C1CC(=O)NC(C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CC(C4)C5CCN(CC5)CCOC6=CC=C(C=C6)N7C=C(C(=N7)C8=CC=NC=C8)C9=CC1=C(C=C9)/C(=N/O)/CC1)O

DOS

IR

Vibrations