Geometry & MOs

Info

ID:	418096
PubChem CID:	135103506
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	3.35
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-pyrazol-1-ylethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations