Geometry & MOs

Info

ID:	344002
PubChem CID:	127267178
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	0.75
Dipole, Da:	4.26
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-N-(2-methyl-1,3-benzoxazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2O1)NC(=O)N(C)CCC3=NC=CN=C3

DOS

IR

Vibrations