Geometry & MOs

Info

ID:	21679
PubChem CID:	589509
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	14.98
Dipole, Da:	3.92
IP(EA), eV:	-8.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-1-[(7-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CNC(=O)N(C)CC1=CN=C2C1=CC=CN2C

DOS

IR

Vibrations