Geometry & MOs

Info

ID:	342788
PubChem CID:	127265951
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	6.29
IP(EA), eV:	-8.87(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N(C)C2CC3CCC(C2)N3CCOC

DOS

IR

Vibrations