Geometry & MOs

Info

ID:	349993
PubChem CID:	127276866
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	4.25
IP(EA), eV:	-8.8(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-yl-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCC=CC2

DOS

IR

Vibrations