Geometry & MOs

Info

ID:	238718
PubChem CID:	92765151
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	6.48
IP(EA), eV:	-8.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)N4CC[C@@H](CC4=N3)C

DOS

IR

Vibrations