Geometry & MOs

Info

ID:	233239
PubChem CID:	89449432
Reduced:	ClO3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	4.94
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(CC1)N2C3=NC(=NC(=C3C=N2)C4=CC=C(C=C4)NC(=O)NC)Cl

DOS

IR

Vibrations