Geometry & MOs

Info

ID:	364590
PubChem CID:	127315842
Reduced:	N3O3C21H37 (1)
Stoich.:	A3B3C21D37 (1)
Weight, g/mol:	212.225249
ΔH_f, kcal/mol:	-168.73
Dipole, Da:	6.41
IP(EA), eV:	-8.87(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbutyl)-1,5-dimethyl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)CN3CCCC(C3)COC

DOS

IR

Vibrations