Geometry & MOs

Info

ID:	234622
PubChem CID:	92303183
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	-121.97
Dipole, Da:	4.61
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2-ethoxyphenyl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N[C@H](C2=NC3=CC=CC=C3N2)C(C)C)O

DOS

IR

Vibrations