Geometry & MOs

Info

ID:	211647
PubChem CID:	81044623
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	253.251798
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	4.97
IP(EA), eV:	-9.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3-piperidin-3-ylbutyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)NC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations