Geometry & MOs

Info

ID:	417086
PubChem CID:	135091294
Reduced:	FN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	4.19
IP(EA), eV:	-8.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-1-[4-[(E)-3-phenylprop-2-enoyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CN2C[C@H]([C@H](C2)OC)CC3=CC(=NO3)C

DOS

IR

Vibrations