Geometry & MOs

Info

ID:	161238
PubChem CID:	57391122
Reduced:	FON5C21H30 (1)
Stoich.:	ABC5D21E30 (1)
Weight, g/mol:	514.152016
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.42
IP(EA), eV:	-8.83(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[3-[1-[(4-methoxyphenyl)methyl]-7-oxo-2,6-dihydropyrazolo[3,4-b][1,4]diazepin-5-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)CCNC1=CC(=NC=N1)N[C@H]2CCN(C2)CC3=C(C(=CC=C3)F)O

DOS

IR

Vibrations