Geometry & MOs

Info

ID:	234627
PubChem CID:	92303196
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	9.75
Dipole, Da:	3.16
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)[C@@H]2N=C(N=C3N2C4=CC=CC=C4N3)N)OC

DOS

IR

Vibrations