Geometry & MOs

Info

ID:	423528
PubChem CID:	135119675
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	361.272927
ΔH_f, kcal/mol:	-108.17
Dipole, Da:	3.7
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-[5-(diethylaminomethyl)-2-methylfuran-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4)OCC1

DOS

IR

Vibrations