Geometry & MOs

Info

ID:	137291
PubChem CID:	52184625
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	2.67
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-methylbutan-2-yl]-3-[[2-(2-methylimidazol-1-yl)pyridin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)NCCNC1=C(C=CC=N1)C#N

DOS

IR

Vibrations