Geometry & MOs

Info

ID:	59154
PubChem CID:	24771303
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	4.7
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyridin-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(=O)N3CCN(CC3)C(C)C)Cl

DOS

IR

Vibrations