Geometry & MOs

Info

ID:	163316
PubChem CID:	57736972
Reduced:	ClFO3N5C25H35 (1)
Stoich.:	ABC3D5E25F35 (1)
Weight, g/mol:	220.143645
ΔH_f, kcal/mol:	-148.97
Dipole, Da:	8.55
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N(C)CCOC)NC(=O)C1=C2CN(CCCN2C(=N1)C3=C(C=CC(=C3)Cl)F)C

DOS

IR

Vibrations