Geometry & MOs

Info

ID:	368039
PubChem CID:	127326809
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	4.65
IP(EA), eV:	-8.79(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclobutyl-(4-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCCC(C1)NC(=O)N2CCCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations