Geometry & MOs

Info

ID:	188073
PubChem CID:	77665438
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	625.435576
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	4.52
IP(EA), eV:	-7.92(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[2-[4-[4-(1-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethyl-4-oxobutyl]-2-(3,5-dimethylphenyl)-1H-pyrrol-3-yl]propylamino]ethyl]phenyl]-1-propan-2-ylurea

Drug info:

PubChemData

Smile

C1CN2C(C1N)CN(C2=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations