Geometry & MOs

Info

ID:	292230
PubChem CID:	114529552
Reduced:	FOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	6.12
IP(EA), eV:	-8.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylimidazol-2-yl)ethyl]-3-(2-methylpropyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CN1C=CN=C1CCC(=O)CSC2=CC=C(C=C2)F

DOS

IR

Vibrations