Geometry & MOs

Info

ID:	358839
PubChem CID:	127296710
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	40.75
Dipole, Da:	3.87
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,4-diazepan-1-yl)-(2-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)NCC3CCN(C3)C4CC4

DOS

IR

Vibrations