Geometry & MOs

Info

ID:	423668
PubChem CID:	135119963
Reduced:	ClO2N5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-28.97
Dipole, Da:	5.08
IP(EA), eV:	-8.96(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=NN(C(=C3Cl)C)C

DOS

IR

Vibrations