Geometry & MOs

Info

ID:	330488
PubChem CID:	127247895
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	5.41
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-hydroxycyclohexyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations