Geometry & MOs

Info

ID:	306329
PubChem CID:	125003775
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	3.34
IP(EA), eV:	-8.43(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-[(6-methylpyridin-3-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@]2(CCCN2C3CCOCC3)C)NC

DOS

IR

Vibrations