Geometry & MOs

Info

ID:	319242
PubChem CID:	126655418
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	85.64
Dipole, Da:	2.53
IP(EA), eV:	-8.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-2,3,4,7-tetrahydroazepine

Drug info:

PubChemData

Smile

C=CCNC1=NN(C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations