Geometry & MOs

Info

ID:	433243
PubChem CID:	135173380
Reduced:	OSN2C27H30 (1)
Stoich.:	ABC2D27E30 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	18.67
Dipole, Da:	6.14
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylideneamino)-5-(4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-N-[(Z)-prop-1-enyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCCCC2=C(C=C(C=C2)C3=CC(=CC=C3)C(=O)N(C)C)SNC4=CC=CC1=C4

DOS

IR

Vibrations