Geometry & MOs

Info

ID:	330573
PubChem CID:	127247980
Reduced:	FO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	3.48
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1-trimethyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CCCOC2=CC=CC=C2F

DOS

IR

Vibrations