Geometry & MOs

Info

ID:	330334
PubChem CID:	127247321
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	4.01
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations