Geometry & MOs

Info

ID:	410443
PubChem CID:	135083240
Reduced:	BC25H41 (1)
Stoich.:	AB25C41 (1)
Weight, g/mol:	109.063997
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	1.03
IP(EA), eV:	-9.26(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1,2,5-triazepine

Drug info:

PubChemData

Smile

B(C=C)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C(C=C)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations