Geometry & MOs

Info

ID:	196940
PubChem CID:	78899960
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	3.61
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(oxolan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCOC1=NC=CC(=C1)CNC(=O)C2=C(C(=C(C=C2)C)C)O

DOS

IR

Vibrations