Geometry & MOs

Info

ID:	234626
PubChem CID:	92303195
Reduced:	ClO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	8.97
Dipole, Da:	1.5
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN1C=NC2=C(C1=N)[C@H](C3=C(O2)C=C(C=C3)O)C4=CC=CC=C4Cl

DOS

IR

Vibrations