Geometry & MOs

Info

ID:	349992
PubChem CID:	127276865
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-114.95
Dipole, Da:	5.75
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

DOS

IR

Vibrations