Geometry & MOs

Info

ID:	142615
PubChem CID:	53067840
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	17.25
Dipole, Da:	5.38
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NCC3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations