Geometry & MOs

Info

ID:	234632
PubChem CID:	92303202
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	6.42
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@H]2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations