Geometry & MOs

Info

ID:	371194
PubChem CID:	127344224
Reduced:	ON7C18H29 (1)
Stoich.:	AB7C18D29 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-9.61
Dipole, Da:	4.84
IP(EA), eV:	-8.96(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(C)CNC(=O)NC2CCC3=NC(=NN3C2)C(C)C

DOS

IR

Vibrations